• Journal of Biomedical Engineering Research
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• v.21 no.4
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• pp.333-338
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• 2000

In this paper, an automated segmentation algorithm is proposed for MR brain images using T1-weighted, T2-weighted, and PD images complementarily. The proposed segmentation algorithm is composed of 3 step. In the first step, cerebrum images are extracted by putting a cerebrum mask upon the three input images. In the second step, outstanding clusters that represent inner tissues of the cerebrum are chosen among 3-dimensional(3D) clusters. 3D clusters are determined by intersecting densely distributed parts of 2D histogram in the 3D space formed with three optimal scale images. Optimal scale image is made up of applying scale space filtering to each 2D histogram and searching graph structure. Optimal scale image best describes the shape of densely distributed parts of pixels in 2D histogram and searching graph structure. Optimal scale image best describes the shape of densely distributed parts of pixels in 2D histogram. In the final step, cerebrum images are segmented using FCM algorithm with its initial centroid value as the outstanding clusters centroid value. The proposed cluster's centroid accurately. And also can get better segmentation results from the proposed segmentation algorithm with multi spectral analysis than the method of single spectral analysis.

• Journal of Sensor Science and Technology
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• v.19 no.3
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• pp.214-220
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• 2010

Three-dimensional(3D) structure of specific DNA can be changed between two conformations under an external environmental transition such as pH and salt concentration variations. We have experimentally observed the conformational transitions of i-motif DNA using AFM cantilever bioassay. It is shown that pH change of a solvent induces the bending defleciton change of a cantilever functionalized by i-motif DNA. This indicates that cantilever bioassay enables the label-free detection of DNA structural changes upon pH change. It is implied that cantilever bioassay can be a de novo route to quantitatively understand the conformational transitions of biological molecules under environmental changes.

• Korean Journal of Materials Research
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• v.31 no.3
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• pp.122-131
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• 2021

In the fabrication of joined materials between anodized aluminum alloy and polymer, the performance of the metal-polymer joining is greatly influenced by the chemical properties of the oxide film. In a previous study, the dependence of physical joining strength on the thickness, structure, pore formation, and surface roughness of films formed on aluminum alloys is investigated. In this study, we investigated the effect of silane coupling treatment on the joining strength and sealing performance between aluminum alloy and polymer. After a two-step anodization process with additional treatment by silane, the oxide film with chemically modified nanostructure is strongly bonded to the polymer through physical and chemical reactions. More specifically, after the two-step anodization with silane treatment, the oxide film has a three-dimensional (3D) nanostructure and the silane components are present in combination with hydroxyl groups up to a depth of 150 nm. Accordingly, the joining strength between the polymer and aluminum alloy increases from 29 to 35 MPa, and the helium leak performance increases from 10-2-10-4 to 10-8-10-9 Pa ㎥ s-1.

• Bulletin of the Korean Chemical Society
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• v.34 no.7
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• pp.1972-1984
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• 2013

Microtubules play an important role in intracellular transport, mobility, and particularly mitosis. Paclitaxel (Taxol$^{TM}$) and paclitaxel-like compounds have been shown to be anti-tumor agents useful for various human tumors. Paclitaxel-like compounds operate by stabilizing microtubules through interface binding at the interface between two ${\beta}$-tubulin monomers in adjacent protofilaments. In this paper we present the elucidation of the structural features of paclitaxel and paclitaxel-like compounds (e.g., epothilones) with microtubule stabilizing activities, and relate their activities to spatial and chemical features of the molecules. CATALYST program was used to generate three-dimensional quantitative structure activity relationships (3D-QSARs) resulting in 3D pharmacophore models of epothilone- and paclitaxel-derivatives. Pharmacophore models were generated from diverse conformers of these compounds resulting in a high correlation between experimental and predicted biological activities (r = 0.83 and 0.91 for epothilone and paclitaxel derivatives, respectively). On the basis of biological activities of the training sets, five- and four-feature pharmacophore hypotheses were generated in the epothilone and paclitaxel series. The validation of generated hypotheses was achieved by using twelve epothilones and ten paclitaxels, respectively, which are not in the training sets. The clustering (grouping) and merging techniques were used in order to supplement spatial restrictions of each of hypothesis and to develop more comprehensive models. This approach may be of use in developing novel inhibitor candidates as well as contributing a better understanding of structural characters of many compounds useful as anticancer agents targeting microtubules.

• Journal of Applied Biological Chemistry
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• v.53 no.4
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• pp.225-231
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• 2010

To understand the inhibitory activity with changing hydroxyl substituents ($R_l-R_9$) of polyhydroxy substituted 2-phenyl-l,4-benzopyrone analogues (1-25) against tyrosinase (PDB ID: oxy-form; 1WX2), molecular docking and the three dimensional quantitative structure-activity relationships (3D-QSARs: Comparative molecular field analysis (CoMFA) & Comparative molecular similarity indices analysis (CoMSIA)) were studied quantitatively. The statistically best models were CoMFA 1 and CoMSIA 1 model from the results. The optimized CoMSIA 1 model with the sensitivity of the perturbation and the prediction produced ($dq^2'/dr_{yy'}^2$=1.009 & $q^2$=0.51l) by a progressive scrambling analysis were not dependent on chance correlation. The inhibitory activities with optimized CoMSIA 1 model were dependent upon electrostatic factor (51.4%) of substrate molecules. Contour mapping the 3D-QSAR models to the active site of tyrosinase provides new insight into the interaction between tyrosinase as receptor and 2-phenyl-l,4-benzopyrone analogues as inhibitor. Therefore, the results will he able to apply to the optimization of a new potent tyrosinase inhibitors.

• Proceedings of the KOSOMBE Conference
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• v.1997 no.05
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• pp.141-144
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• 1997

Femoral neck anteversion is the angle between the neck and the knee axis projected on a plane perpendicular to the longitudinal axis. Conventional methods that use cross-sectional Computed Tomography(CT) images to estimate femoral anteversion have several problems because of the complex 3D structure of the femur. These are the ambiguity of defining the longitudinal axis, the femoral neck axis and condylar line, and the dependence on patient positioning. Especially the femoral neck axis that is known as a major source of error is hard to determine from a single or multiple 2D transverse images. So we developed a new method for measuring femoral anteversion by 3D modeling method. In this method, femoral head is modeled as a sphere. The center of femoral neck is the mid-point of the 2D reconstructed oblique image in the femoral neck part. Then neck axis is a line connecting foregoing two centers. We model the longitude of femur as a cylinder, and the long axis is defined from the fitted cylinder. The knee axis which is tangent to the back of the femoral condyles is easily determined by table-top method. By the definition of femoral anteversion, the femoral anteversion is easily calculated from this model.

• Proceedings of the Korean Society of Applied Pharmacology
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• 1998.11a
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• pp.159-160
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• 1998

Results of chemistry and biological activity of many years indicate that plants belonging to the Isodon genus are rich in ent-kaurane diterpenoids, which have been revealed to possess biological activities such as antitumor, antibacterial and antiinflammatory effects. In continuation of our research on diterpenoids in medicinal plants of this genus, the acetone extract from the leaves of I. xerophilus, which is a plant native to Yunnan province of China, showed potent antitumor activity against K562. After partition, the most active EtOAc part was studied. Four new diterpenoids named xerophilusin A(l), B(2), C(3), D(4), and eight known compounds including macrocalin B(5) and rabdorosthomin A(6) were isolated, whose structures were elucidated through a series of one- and two-dimensional NMR techniques(DEPT, COSY, HMQC, HMBC and ROESY experiments). Among them, compound 1, 2 and 5 had two unique epoxy units formed by two ether bridges from C-20 to C-7, C-14. Up to now, there are four compounds having such an peculiar structure besides these three compounds. Compound 3 and 4 were two of the few examples possessing $1{\beta}$ substitutes. All the diterpenoid compounds were subjected to the antitumor screening. It is interesting that only xerophilusin A(l), B(2) and macrocalin(5) exhibited significant antitumor activity against K562 by the method of MTT($IC_{50}$ were listed in Table 1.). The results inspired us to infer that the unique ether bridges from C-20 to C-7, C-14 possibly played an important role in the antitumor activity.

• Journal of Biomedical Engineering Research
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• v.30 no.2
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• pp.135-141
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• 2009

Purpose: The aim of present study is to evaluate a possibility of clinical application for the effect of low intensity ultrasound stimulation (LIUS) in mechanical characteristics of bone on osteoporotic fractures prevention. Materials and Methods: Eight virgin ICR mice (14 weeks old, approximate weight 25g) were ovariectomized (OVX) to induce osteoporosis. The right hind limbs were then stimulated with LIDS (US Group), whereas left hind limbs were not stimulated (CON Group). Both hind limbs of all mice were scanned by in-vivo micro-CT to acquire two-dimensional (2D) images at 0 week before stimulation and 3 weeks and 6 weeks after stimulation. Three-dimensional (3D) finite element (FE) models generated by scanned 2D images were used to determine quantitatively the effect of LIUS on strength related to bone structure. Additionally, distributions of Hounsfield units and elastic moduli, which are related to the bone quality, for the bones in the US and CON groups were determined to analyze quantitatively a degree of improvement of bone qualities achieved by LIUS. Results: The result of FE analysis showed that the structural strength in US Group was significantly increased over time (p<0.05), while that in CON Group was statistically constant over time (p>0.05). High values of Hounsfield units obtained from voxels on micro-CT images and high values of elastic moduli converted from the Hounsfield units were dominantly appeared in US Group compared with those in CON Group. Conclusion: These finding indicated that LIUS would improve the mechanical characteristics of osteoporotic bone via the effects of bone structure (bone strength) and quality (Hounsfield unit and elastic modulus). Therefore, the LIUS may decrease effectively the risk of osteoporotic fracture in clinics.

• The Korean Journal of Pesticide Science
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• v.9 no.2
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• pp.140-145
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• 2005

Quantitative Structure Activity Relationship (QSAR) assumes the relatedness between physical property and biological activity. However, activity data measured at single concentration such as percent activity have not been used extensively for modeling purpose. This probably comes from the fact that these values are qualitative instead of quantitative. To utilize percent activity data for molecular modeling, we classified the whole data into two classes. One class represents the active while the other signifies the inactive. The percent activity data of ${\beta}$-Ketoacetoanilides measured for TLB (Tomato Late Blight) were investigated. CoMFA (Comparative Molecular Field Analysis) was used as a discriminant function. Using CoMFA provides 3D (three dimensional) information, which is crucial for chemical insight. It can also serve as a predictive model. The resultant model classified the given data correctly (98%). When LOO (leave-one-out) crossvalidation procedure was applied, the classification accuracy was 69%. Therefore two class approximation of percent activity data with CoMFA can be utilized to understand the relationship between chemical structure and biological activity and design subsequent chemical analogs.

• Journal of Applied Biological Chemistry
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• v.53 no.2
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• pp.99-104
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• 2010

The influences on antioxidant activities of the substituents ($R_1-R_4$) on benzo ring in 4-Methyl-2H-benzopyran-2-one analogues (1-23) were discussed quantitatively using three dimensional quantitative structure-activity relationships (3D-QSARs: Comparative molecular field analyses (CoMFA) and Comparative molecular similarity indice analyses (CoMSIA)) methods. The statistical qualities of CoMSIA models were better than those of CoMFA models and the CoMSIA 2 model was optimized model ($q^2$=0.700 & $r^2$=0.979). Also, the contribution ratios (%) of the optimized CoMSIA 2 model were H-bond donor field 43.5%, electrostatic field 41.8% and steric field 14.7% so that the antioxidant activity exhibited a strong correlation with H-bond donor and electrostatic factor of molecules. From the analytical results of the CoMSIA contour maps, if the positive charge favor group and H-bond donor disfavor group were placed in the $R_1-R_4$ positions on the benzo ring, it was predicted that the groups would raised the antioxidant activity.